Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester (CAS 6333-87-5) is a chemical compound with molecular formula C9H20NO4PS and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanyl-N-propan-2-ylacetamide
Also Known As: O,O-Diethyl S-(N-isopropylcarbamoylmethyl) phosphorothiolate, 2-diethoxyphosphorylsulfanyl-N-propan-2-ylacetamide, Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester, o,o-diethyl s-[2-oxo-2-(propan-2-ylamino)ethyl] phosphorothioate, [(Diethoxyphosphoryl)sulfanyl]-N-(propan-2-yl)ethanimidic acid
| Molecular Formula | C9H20NO4PS |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 269.08505 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 6333-87-5 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC(=O)NC(C)C |
| InChIKey | APKOEEKMDHDOLF-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester (CAS 6333-87-5), with molecular formula C9H20NO4PS and molecular weight 269.09 g/mol. IUPAC: 2-diethoxyphosphorylsulfanyl-N-propan-2-ylacetamide.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester is 6333-87-5.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester is C9H20NO4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester is 269.09 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.